Chemical Properties of 3-Phenylpropionic acid, 2,4,5-trichlorophenyl ester

InChI

InChI=1S/C15H11Cl3O2/c16-11-8-13(18)14(9-12(11)17)20-15(19)7-6-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2

InChI Key

NBCATOXCSOXZTK-UHFFFAOYSA-N

Formula

C15H11Cl3O2

SMILES

O=C(CCc1ccccc1)Oc1cc(Cl)c(Cl)cc1Cl

Molecular Weight¹

329.61

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	38.48	kJ/mol	Joback Calculated Property
IE	8.40	eV	Relay (1.0) Calculated Property
log10WS	-5.93		Relay (1.0) Calculated Property
logPoct/wat	5.185		Crippen Calculated Property
McVol	218.850	ml/mol	McGowan Calculated Property
Pc	2169.38	kPa	Joback Calculated Property
Inp	[2410.00; 2410.00]
Inp	2410.00		NIST
Inp	2410.00		NIST
Tboil	622.35	K	Relay (1.0) Calculated Property
Tfus	332.62	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[530.82; 584.03]	J/mol×K	[781.61; 1027.06]
Cp,gas	530.82	J/mol×K	781.61	Joback Calculated Property
Cp,gas	542.38	J/mol×K	822.52	Joback Calculated Property
Cp,gas	552.80	J/mol×K	863.43	Joback Calculated Property
Cp,gas	562.13	J/mol×K	904.34	Joback Calculated Property
Cp,gas	570.41	J/mol×K	945.24	Joback Calculated Property
Cp,gas	577.69	J/mol×K	986.15	Joback Calculated Property
Cp,gas	584.03	J/mol×K	1027.06	Joback Calculated Property
η	[0.0000901; 0.0006840]	Pa×s	[481.30; 781.61]
η	0.0006840	Pa×s	481.30	Joback Calculated Property
η	0.0004161	Pa×s	531.35	Joback Calculated Property
η	0.0002757	Pa×s	581.40	Joback Calculated Property
η	0.0001950	Pa×s	631.45	Joback Calculated Property
η	0.0001452	Pa×s	681.51	Joback Calculated Property
η	0.0001125	Pa×s	731.56	Joback Calculated Property
η	0.0000901	Pa×s	781.61	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-Phenylpropionic acid, 2,4,5-trichlorophenyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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